(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide

C13H17N5O2S — CID 56705779

IUPAC(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N5O2S/c1-15-12(20)10-4-8(14)6-18(10)11(19)5-9-7-17-2-3-21-13(17)16-9/h2-3,7-8,10H,4-6,14H2,1H3,(H,15,20)/t8-,10+/m1/s1
InChIKeyDQGNQLZXHZJRTO-SCZZXKLOSA-N
MW307.38 g/mol
LogP-0.39
Rot. Bonds3

About (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 56705779) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID56705779
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H17N5O2S/c1-15-12(20)10-4-8(14)6-18(10)11(19)5-9-7-17-2-3-21-13(17)16-9/h2-3,7-8,10H,4-6,14H2,1H3,(H,15,20)/t8-,10+/m1/s1
InChIKeyDQGNQLZXHZJRTO-SCZZXKLOSA-N
XLogP-0.39
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145260
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
CID 97221750
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,5-dihydropyrrole-2-carboxylic acid
CID 121496999
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
CID 66062499
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide (CID 56705779) is (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DQGNQLZXHZJRTO-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-15-12(20)10-4-8(14)6-18(10)11(19)5-9-7-17-2-3-21-13(17)16-9/h2-3,7-8,10H,4-6,14H2,1H3,(H,15,20)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56705779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).