1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea

C10H13N5OS — CID 51084054

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1nc(CNC(=O)NCc2ccn[nH]2)cs1
InChIInChI=1S/C10H13N5OS/c1-7-14-9(6-17-7)5-12-10(16)11-4-8-2-3-13-15-8/h2-3,6H,4-5H2,1H3,(H,13,15)(H2,11,12,16)
InChIKeyCZLVQACEVLNBLA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.17
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084054) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084054
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1nc(CNC(=O)NCc2ccn[nH]2)cs1
InChIInChI=1S/C10H13N5OS/c1-7-14-9(6-17-7)5-12-10(16)11-4-8-2-3-13-15-8/h2-3,6H,4-5H2,1H3,(H,13,15)(H2,11,12,16)
InChIKeyCZLVQACEVLNBLA-UHFFFAOYSA-N
XLogP1.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61282805
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115671380
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
3,3-dimethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62933590
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
1-[2-(N-methylanilino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084045

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084054) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea is Cc1nc(CNC(=O)NCc2ccn[nH]2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is CZLVQACEVLNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-14-9(6-17-7)5-12-10(16)11-4-8-2-3-13-15-8/h2-3,6H,4-5H2,1H3,(H,13,15)(H2,11,12,16).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 251.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).