N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

C9H14N2S — CID 65169585

IUPACN-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1C
InChIInChI=1S/C9H14N2S/c1-6-7(2)12-9(11-6)10-5-8-3-4-8/h8H,3-5H2,1-2H3,(H,10,11)
InChIKeyLMJIUSPHFNBMNB-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.58
Rot. Bonds3

About N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169585) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169585
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1C
InChIInChI=1S/C9H14N2S/c1-6-7(2)12-9(11-6)10-5-8-3-4-8/h8H,3-5H2,1-2H3,(H,10,11)
InChIKeyLMJIUSPHFNBMNB-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169585) is N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2CC2)sc1C.
What is the InChIKey of N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LMJIUSPHFNBMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-7(2)12-9(11-6)10-5-8-3-4-8/h8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).