2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile

C11H11N5S — CID 107544637

IUPAC2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
SMILESCCC(Nc1nccc(C#N)n1)c1nccs1
InChIInChI=1S/C11H11N5S/c1-2-9(10-13-5-6-17-10)16-11-14-4-3-8(7-12)15-11/h3-6,9H,2H2,1H3,(H,14,15,16)
InChIKeyASWKWXSSQFSMQW-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.37
Rot. Bonds4

About 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile

2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile (PubChem CID 107544637) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
PubChem CID107544637
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
SMILESCCC(Nc1nccc(C#N)n1)c1nccs1
InChIInChI=1S/C11H11N5S/c1-2-9(10-13-5-6-17-10)16-11-14-4-3-8(7-12)15-11/h3-6,9H,2H2,1H3,(H,14,15,16)
InChIKeyASWKWXSSQFSMQW-UHFFFAOYSA-N
XLogP2.37
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
CID 106595608
3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 80509803
N-[1-(1,3-thiazol-2-yl)propyl]quinazolin-2-amine
CID 114789128
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile (CID 107544637) is 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile is CCC(Nc1nccc(C#N)n1)c1nccs1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile?
The InChIKey is ASWKWXSSQFSMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-2-9(10-13-5-6-17-10)16-11-14-4-3-8(7-12)15-11/h3-6,9H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile?
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).