3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile

C10H15N3S — CID 115679915

IUPAC3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
SMILESCc1cnc(C(C)NC(C)CC#N)s1
InChIInChI=1S/C10H15N3S/c1-7(4-5-11)13-9(3)10-12-6-8(2)14-10/h6-7,9,13H,4H2,1-3H3
InChIKeySFLHXQQWUSKIKN-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.40
Rot. Bonds4

About 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile

3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile (PubChem CID 115679915) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile.

Molecular Properties

Compound Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
PubChem CID115679915
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
SMILESCc1cnc(C(C)NC(C)CC#N)s1
InChIInChI=1S/C10H15N3S/c1-7(4-5-11)13-9(3)10-12-6-8(2)14-10/h6-7,9,13H,4H2,1-3H3
InChIKeySFLHXQQWUSKIKN-UHFFFAOYSA-N
XLogP2.40
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
N-(2-methylsulfanylethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579941
2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104579964
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 112700535
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile?
The IUPAC name of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile (CID 115679915) is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile.
What is the SMILES notation for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile?
The canonical SMILES for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile is Cc1cnc(C(C)NC(C)CC#N)s1.
What is the InChIKey of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile?
The InChIKey is SFLHXQQWUSKIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(4-5-11)13-9(3)10-12-6-8(2)14-10/h6-7,9,13H,4H2,1-3H3.
What are the key properties of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile?
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile is sourced from PubChem (CID 115679915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).