N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C13H15N3S — CID 141165466

IUPACN-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2csc(NCC3CC3)n2)n1
InChIInChI=1S/C13H15N3S/c1-9-3-2-4-11(15-9)12-8-17-13(16-12)14-7-10-5-6-10/h2-4,8,10H,5-7H2,1H3,(H,14,16)
InChIKeyWXTAGVDTYSENSG-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.34
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 141165466) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID141165466
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2csc(NCC3CC3)n2)n1
InChIInChI=1S/C13H15N3S/c1-9-3-2-4-11(15-9)12-8-17-13(16-12)14-7-10-5-6-10/h2-4,8,10H,5-7H2,1H3,(H,14,16)
InChIKeyWXTAGVDTYSENSG-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 141165466) is N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(-c2csc(NCC3CC3)n2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is WXTAGVDTYSENSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-3-2-4-11(15-9)12-8-17-13(16-12)14-7-10-5-6-10/h2-4,8,10H,5-7H2,1H3,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141165466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).