5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride

C8H10Cl2N4S — CID 67060588

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)nsc1N1CC[C@H](N)C1
InChIInChI=1S/C8H9ClN4S.ClH/c9-7-6(3-10)8(14-12-7)13-2-1-5(11)4-13;/h5H,1-2,4,11H2;1H/t5-;/m0./s1
InChIKeyQKMNUUKXEGNRRZ-JEDNCBNOSA-N
MW265.17 g/mol
LogP1.63
Rot. Bonds1

About 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride

5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride (PubChem CID 67060588) has the molecular formula C8H10Cl2N4S and a molecular weight of 265.17 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride
PubChem CID67060588
Molecular FormulaC8H10Cl2N4S
Molecular Weight265.17 g/mol
Exact Mass264.00
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)nsc1N1CC[C@H](N)C1
InChIInChI=1S/C8H9ClN4S.ClH/c9-7-6(3-10)8(14-12-7)13-2-1-5(11)4-13;/h5H,1-2,4,11H2;1H/t5-;/m0./s1
InChIKeyQKMNUUKXEGNRRZ-JEDNCBNOSA-N
XLogP1.63
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-5-(1-pyrrolidinyl)-4-isothiazolecarbonitrile
CID 47214659
3-Chloro-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,2-thiazole-4-carbonitrile
CID 133371430
(2S)-2-amino-N-[(3S)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide
CID 50997524
5-(3-Aminopyrrolidin-1-yl)-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride
CID 67060379
5-(3-Aminopyrrolidin-1-yl)-3-chloro-1,2-thiazole-4-carbonitrile
CID 67060380
(2S)-2-[[(3S)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]amino]propanamide
CID 67060465
5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile
CID 67060589
2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide
CID 75598714
2-Aminopropanamide;3-chloro-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
CID 144145457
3-Chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile
CID 47214669
5-(Butylamino)-3-chloro-1,2-thiazole-4-carbonitrile
CID 47276957
3-Chloro-5-(pentan-3-ylamino)-1,2-thiazole-4-carbonitrile
CID 47277247

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride (CID 67060588) is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride is Cl.N#Cc1c(Cl)nsc1N1CC[C@H](N)C1.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride?
The InChIKey is QKMNUUKXEGNRRZ-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9ClN4S.ClH/c9-7-6(3-10)8(14-12-7)13-2-1-5(11)4-13;/h5H,1-2,4,11H2;1H/t5-;/m0./s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride?
5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride has a molecular weight of 265.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloro-1,2-thiazole-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67060588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).