3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile

C10H14N4OS — CID 103379870

IUPAC3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCOC1CCCC1Nc1snc(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-15-8-4-2-3-7(8)13-10-6(5-11)9(12)14-16-10/h7-8,13H,2-4H2,1H3,(H2,12,14)
InChIKeyNINGBDRVWCDLOU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379870) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379870
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCOC1CCCC1Nc1snc(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-15-8-4-2-3-7(8)13-10-6(5-11)9(12)14-16-10/h7-8,13H,2-4H2,1H3,(H2,12,14)
InChIKeyNINGBDRVWCDLOU-UHFFFAOYSA-N
XLogP1.58
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile
CID 103382474
5-N-(2-methoxycyclopentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379868
2-amino-3-[(2-methoxycyclopentyl)amino]benzonitrile
CID 113444746
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383180
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268330
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
CID 80509599
3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 106138970
3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
CID 107057512
2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 43762433
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
CID 103384602

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile (CID 103379870) is 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile is COC1CCCC1Nc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is NINGBDRVWCDLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-15-8-4-2-3-7(8)13-10-6(5-11)9(12)14-16-10/h7-8,13H,2-4H2,1H3,(H2,12,14).
What are the key properties of 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-methoxycyclopentyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).