4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine

C13H19N5S — CID 118759330

IUPAC4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(C2CCN(C)CC2)n1
InChIInChI=1S/C13H19N5S/c1-9-12(19-13(14)15-9)11-5-8-18(16-11)10-3-6-17(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15)
InChIKeyMBVRQADADGVXSH-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.16
Rot. Bonds2

About 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine

4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 118759330) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID118759330
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(C2CCN(C)CC2)n1
InChIInChI=1S/C13H19N5S/c1-9-12(19-13(14)15-9)11-5-8-18(16-11)10-3-6-17(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15)
InChIKeyMBVRQADADGVXSH-UHFFFAOYSA-N
XLogP2.16
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485377
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485390
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485391
4-(dimethyl-1,3-thiazol-5-yl)-N-methylpyrimidin-2-amine
CID 6539278
2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}pyridine
CID 5711093
2-Pyridinecarbaldehyde (4,5-dimethyl-1,3-thiazol-2-yl)hydrazone
CID 9662480
N1-isopropyl-3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-1-carboxamide
CID 2805449
4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485376
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
CID 6539279
5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645256
4-Methyl-5-(pyridin-2-yl)-1,3-thiazol-2-amine
CID 16227803

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 118759330) is 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccn(C2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is MBVRQADADGVXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9-12(19-13(14)15-9)11-5-8-18(16-11)10-3-6-17(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118759330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).