N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

C14H18N4O2S — CID 135120632

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(c1nc2c(s1)CCCC2)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C14H18N4O2S/c19-8-7-18(9-12-15-5-6-16-12)14(20)13-17-10-3-1-2-4-11(10)21-13/h5-6,19H,1-4,7-9H2,(H,15,16)
InChIKeyYSMHKHNZDDXFBU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.38
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 135120632) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID135120632
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(c1nc2c(s1)CCCC2)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C14H18N4O2S/c19-8-7-18(9-12-15-5-6-16-12)14(20)13-17-10-3-1-2-4-11(10)21-13/h5-6,19H,1-4,7-9H2,(H,15,16)
InChIKeyYSMHKHNZDDXFBU-UHFFFAOYSA-N
XLogP1.38
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 135120632) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is O=C(c1nc2c(s1)CCCC2)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is YSMHKHNZDDXFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-8-7-18(9-12-15-5-6-16-12)14(20)13-17-10-3-1-2-4-11(10)21-13/h5-6,19H,1-4,7-9H2,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 135120632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).