5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine

C14H17N7OS — CID 66668784

IUPAC5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine
SMILESCOCCNc1sc(N(C)c2ncccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C14H17N7OS/c1-21(13-16-4-3-5-17-13)14-20-11(10-8-18-19-9-10)12(23-14)15-6-7-22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,19)
InChIKeyZDDVQQCOAFJAPW-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.15
Rot. Bonds7

About 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine

5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine (PubChem CID 66668784) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine
PubChem CID66668784
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine
SMILESCOCCNc1sc(N(C)c2ncccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C14H17N7OS/c1-21(13-16-4-3-5-17-13)14-20-11(10-8-18-19-9-10)12(23-14)15-6-7-22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,19)
InChIKeyZDDVQQCOAFJAPW-UHFFFAOYSA-N
XLogP2.15
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 146568088
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
CID 116812463
ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 91596649
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N-(2-methoxyethyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 63049884
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82438601
N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 65268176
N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 89308329
4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 55025921
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine (CID 66668784) is 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine is COCCNc1sc(N(C)c2ncccn2)nc1-c1cn[nH]c1.
What is the InChIKey of 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine?
The InChIKey is ZDDVQQCOAFJAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-21(13-16-4-3-5-17-13)14-20-11(10-8-18-19-9-10)12(23-14)15-6-7-22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine?
5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine has a molecular weight of 331.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 66668784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).