N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide

C14H19N5OS — CID 138020920

IUPACN,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1NCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H19N5OS/c1-19(2)14(20)9-7-16-18-13(9)15-8-12-17-10-5-3-4-6-11(10)21-12/h7H,3-6,8H2,1-2H3,(H2,15,16,18)
InChIKeyHMYLNIVITPPZRI-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.06
Rot. Bonds4

About N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 138020920) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
PubChem CID138020920
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1NCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H19N5OS/c1-19(2)14(20)9-7-16-18-13(9)15-8-12-17-10-5-3-4-6-11(10)21-12/h7H,3-6,8H2,1-2H3,(H2,15,16,18)
InChIKeyHMYLNIVITPPZRI-UHFFFAOYSA-N
XLogP2.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide
CID 167850843
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 154783599
4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 94282044
1-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126783388
N,N-dimethyl-2-[[propylamino-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110035062
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)oxane-4-carboxamide
CID 120940969
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816
3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 118772767
5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
CID 123841690
2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 82121960

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide (CID 138020920) is N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1NCc1nc2c(s1)CCCC2.
What is the InChIKey of N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is HMYLNIVITPPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(2)14(20)9-7-16-18-13(9)15-8-12-17-10-5-3-4-6-11(10)21-12/h7H,3-6,8H2,1-2H3,(H2,15,16,18).
What are the key properties of N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138020920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).