(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine

C16H20N4OS — CID 164636235

IUPAC(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
SMILESCC[C@H](NCc1ccc(-c2ccn[nH]2)o1)c1nc(C)c(C)s1
InChIInChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)11(3)22-16)17-9-12-5-6-15(21-12)14-7-8-18-20-14/h5-8,13,17H,4,9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyGTZHJNHOWPCTPI-ZDUSSCGKSA-N
MW316.43 g/mol
LogP3.98
Rot. Bonds6

About (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine

(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 164636235) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID164636235
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
SMILESCC[C@H](NCc1ccc(-c2ccn[nH]2)o1)c1nc(C)c(C)s1
InChIInChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)11(3)22-16)17-9-12-5-6-15(21-12)14-7-8-18-20-14/h5-8,13,17H,4,9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyGTZHJNHOWPCTPI-ZDUSSCGKSA-N
XLogP3.98
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine (CID 164636235) is (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine is CC[C@H](NCc1ccc(-c2ccn[nH]2)o1)c1nc(C)c(C)s1.
What is the InChIKey of (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is GTZHJNHOWPCTPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)11(3)22-16)17-9-12-5-6-15(21-12)14-7-8-18-20-14/h5-8,13,17H,4,9H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine?
(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 316.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 164636235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).