(5-methyl-1,3-thiazol-2-yl)methylurea

C6H9N3OS — CID 103708250

IUPAC(5-methyl-1,3-thiazol-2-yl)methylurea
SMILESCc1cnc(CNC(N)=O)s1
InChIInChI=1S/C6H9N3OS/c1-4-2-8-5(11-4)3-9-6(7)10/h2H,3H2,1H3,(H3,7,9,10)
InChIKeyRCIAJHPBZLZLRE-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.62
Rot. Bonds2

About (5-methyl-1,3-thiazol-2-yl)methylurea

(5-methyl-1,3-thiazol-2-yl)methylurea (PubChem CID 103708250) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-2-yl)methylurea.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)methylurea
PubChem CID103708250
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name(5-methyl-1,3-thiazol-2-yl)methylurea
SMILESCc1cnc(CNC(N)=O)s1
InChIInChI=1S/C6H9N3OS/c1-4-2-8-5(11-4)3-9-6(7)10/h2H,3H2,1H3,(H3,7,9,10)
InChIKeyRCIAJHPBZLZLRE-UHFFFAOYSA-N
XLogP0.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 103814824
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)methylurea?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)methylurea (CID 103708250) is (5-methyl-1,3-thiazol-2-yl)methylurea.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)methylurea?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)methylurea is Cc1cnc(CNC(N)=O)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)methylurea?
The InChIKey is RCIAJHPBZLZLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-2-8-5(11-4)3-9-6(7)10/h2H,3H2,1H3,(H3,7,9,10).
What are the key properties of (5-methyl-1,3-thiazol-2-yl)methylurea?
(5-methyl-1,3-thiazol-2-yl)methylurea has a molecular weight of 171.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-thiazol-2-yl)methylurea is sourced from PubChem (CID 103708250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).