2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide

C19H27N5O2S — CID 166620051

IUPAC2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2cn3ccsc3n2)N1CC1CC1
InChIInChI=1S/C19H27N5O2S/c1-13(25)20-10-17-5-4-16(24(17)11-14-2-3-14)8-18(26)21-9-15-12-23-6-7-27-19(23)22-15/h6-7,12,14,16-17H,2-5,8-11H2,1H3,(H,20,25)(H,21,26)/t16-,17+/m0/s1
InChIKeyRTVXXLYQLDVEQD-DLBZAZTESA-N
MW389.53 g/mol
LogP1.78
Rot. Bonds8

About 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide

2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide (PubChem CID 166620051) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
PubChem CID166620051
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2cn3ccsc3n2)N1CC1CC1
InChIInChI=1S/C19H27N5O2S/c1-13(25)20-10-17-5-4-16(24(17)11-14-2-3-14)8-18(26)21-9-15-12-23-6-7-27-19(23)22-15/h6-7,12,14,16-17H,2-5,8-11H2,1H3,(H,20,25)(H,21,26)/t16-,17+/m0/s1
InChIKeyRTVXXLYQLDVEQD-DLBZAZTESA-N
XLogP1.78
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 134027755
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(1H-indol-4-ylmethyl)acetamide
CID 166617682
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 166619412
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 134027782
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 170511118
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide (CID 166620051) is 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)NCc2cn3ccsc3n2)N1CC1CC1.
What is the InChIKey of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The InChIKey is RTVXXLYQLDVEQD-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(25)20-10-17-5-4-16(24(17)11-14-2-3-14)8-18(26)21-9-15-12-23-6-7-27-19(23)22-15/h6-7,12,14,16-17H,2-5,8-11H2,1H3,(H,20,25)(H,21,26)/t16-,17+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide has a molecular weight of 389.53 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide is sourced from PubChem (CID 166620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).