N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

C8H13N3S — CID 96996514

IUPACN-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESc1csc(NC[C@H]2CCNC2)n1
InChIInChI=1S/C8H13N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2,(H,10,11)/t7-/m0/s1
InChIKeyBEGUPZPCCPKQBX-ZETCQYMHSA-N
MW183.28 g/mol
LogP1.16
Rot. Bonds3

About N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 96996514) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID96996514
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESc1csc(NC[C@H]2CCNC2)n1
InChIInChI=1S/C8H13N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2,(H,10,11)/t7-/m0/s1
InChIKeyBEGUPZPCCPKQBX-ZETCQYMHSA-N
XLogP1.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63006342
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013
N-(azetidin-3-yl)-1,3-thiazol-2-amine
CID 66187030
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
CID 22560251
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (CID 96996514) is N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is c1csc(NC[C@H]2CCNC2)n1.
What is the InChIKey of N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BEGUPZPCCPKQBX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 96996514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).