5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine

C16H18N4OS — CID 56851838

IUPAC5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1-c1ccn(CC2CC2)n1
InChIInChI=1S/C16H18N4OS/c1-11-15(14-6-7-20(19-14)10-12-4-5-12)22-16(18-11)17-9-13-3-2-8-21-13/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18)
InChIKeyOFXPQYSOWJBGQA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.93
Rot. Bonds6

About 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine

5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 56851838) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID56851838
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1-c1ccn(CC2CC2)n1
InChIInChI=1S/C16H18N4OS/c1-11-15(14-6-7-20(19-14)10-12-4-5-12)22-16(18-11)17-9-13-3-2-8-21-13/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18)
InChIKeyOFXPQYSOWJBGQA-UHFFFAOYSA-N
XLogP3.93
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 26321861
2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
CID 126463922
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 118754279
4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448
N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26357610
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 26354510
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
N-(1,3-benzodioxol-4-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 56918469
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
5-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 26346619
N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 25295196

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (CID 56851838) is 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccco2)sc1-c1ccn(CC2CC2)n1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is OFXPQYSOWJBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-15(14-6-7-20(19-14)10-12-4-5-12)22-16(18-11)17-9-13-3-2-8-21-13/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 56851838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).