1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C14H23N5OS — CID 111457678

IUPAC1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1nc(N(C)C)sc1CNCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H23N5OS/c1-10-12(21-13(17-10)18(3)4)7-15-9-14(2,20)11-6-16-19(5)8-11/h6,8,15,20H,7,9H2,1-5H3
InChIKeyKWAKEMVAOSKUPS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.25
Rot. Bonds6

About 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111457678) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111457678
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1nc(N(C)C)sc1CNCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H23N5OS/c1-10-12(21-13(17-10)18(3)4)7-15-9-14(2,20)11-6-16-19(5)8-11/h6,8,15,20H,7,9H2,1-5H3
InChIKeyKWAKEMVAOSKUPS-UHFFFAOYSA-N
XLogP1.25
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111457678) is 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1nc(N(C)C)sc1CNCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is KWAKEMVAOSKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10-12(21-13(17-10)18(3)4)7-15-9-14(2,20)11-6-16-19(5)8-11/h6,8,15,20H,7,9H2,1-5H3.
What are the key properties of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 309.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111457678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).