cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

C14H22N4OS — CID 56908759

IUPACcis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCc2csc(N3CCCC3)n2)C1
InChIInChI=1S/C14H22N4OS/c15-11-4-3-10(7-11)13(19)16-8-12-9-20-14(17-12)18-5-1-2-6-18/h9-11H,1-8,15H2,(H,16,19)/t10-,11+/m0/s1
InChIKeyZETXOZDQGKSDQP-WDEREUQCSA-N
MW294.42 g/mol
LogP1.49
Rot. Bonds4

About cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 56908759) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID56908759
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Namecis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCc2csc(N3CCCC3)n2)C1
InChIInChI=1S/C14H22N4OS/c15-11-4-3-10(7-11)13(19)16-8-12-9-20-14(17-12)18-5-1-2-6-18/h9-11H,1-8,15H2,(H,16,19)/t10-,11+/m0/s1
InChIKeyZETXOZDQGKSDQP-WDEREUQCSA-N
XLogP1.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77090264
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
(3R)-6-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97120936
(2S,5R)-5-(aminomethyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 120800688
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 154910286
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 56908759) is cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is N[C@@H]1CC[C@H](C(=O)NCc2csc(N3CCCC3)n2)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ZETXOZDQGKSDQP-WDEREUQCSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-11-4-3-10(7-11)13(19)16-8-12-9-20-14(17-12)18-5-1-2-6-18/h9-11H,1-8,15H2,(H,16,19)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56908759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).