3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile

C11H14ClN3S — CID 133380535

IUPAC3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCCC1(CNc2snc(Cl)c2C#N)CC1
InChIInChI=1S/C11H14ClN3S/c1-2-3-11(4-5-11)7-14-10-8(6-13)9(12)15-16-10/h14H,2-5,7H2,1H3
InChIKeySWWRLIUBHFXLSU-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.66
Rot. Bonds5

About 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 133380535) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID133380535
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCCC1(CNc2snc(Cl)c2C#N)CC1
InChIInChI=1S/C11H14ClN3S/c1-2-3-11(4-5-11)7-14-10-8(6-13)9(12)15-16-10/h14H,2-5,7H2,1H3
InChIKeySWWRLIUBHFXLSU-UHFFFAOYSA-N
XLogP3.66
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile
CID 133381321
3-chloro-5-(cyclopropylmethylamino)-1,2-thiazole-4-carbonitrile
CID 131159941
3-chloro-5-(2-methoxyethylamino)-1,2-thiazole-4-carbonitrile
CID 47214811
3-chloro-5-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 146125009
3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
CID 133425145
3-chloro-5-[[(3S)-3-hydroxybutyl]amino]-1,2-thiazole-4-carbonitrile
CID 130646571
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
3-chloro-5-[[(2S)-1-hydroxypropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 130687983
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
3-chloro-5-[(3-hydroxy-3-phenylbutyl)amino]-1,2-thiazole-4-carbonitrile
CID 133495653
3-chloro-5-[3-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylamino]-1,2-thiazole-4-carbonitrile
CID 97212772
3-chloro-5-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propylamino]-1,2-thiazole-4-carbonitrile
CID 75371023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile (CID 133380535) is 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile is CCCC1(CNc2snc(Cl)c2C#N)CC1.
What is the InChIKey of 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is SWWRLIUBHFXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-2-3-11(4-5-11)7-14-10-8(6-13)9(12)15-16-10/h14H,2-5,7H2,1H3.
What are the key properties of 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 255.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).