2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile

C10H13N3S — CID 130747581

IUPAC2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCc1cnc(NCC2(CC#N)CC2)s1
InChIInChI=1S/C10H13N3S/c1-8-6-12-9(14-8)13-7-10(2-3-10)4-5-11/h6H,2-4,7H2,1H3,(H,12,13)
InChIKeyDFEWEZDWQMHBGK-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 130747581) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID130747581
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCc1cnc(NCC2(CC#N)CC2)s1
InChIInChI=1S/C10H13N3S/c1-8-6-12-9(14-8)13-7-10(2-3-10)4-5-11/h6H,2-4,7H2,1H3,(H,12,13)
InChIKeyDFEWEZDWQMHBGK-UHFFFAOYSA-N
XLogP2.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile (CID 130747581) is 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile is Cc1cnc(NCC2(CC#N)CC2)s1.
What is the InChIKey of 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is DFEWEZDWQMHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-6-12-9(14-8)13-7-10(2-3-10)4-5-11/h6H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 130747581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).