(4-methylthiadiazol-5-yl)carbamic acid

C4H5N3O2S — CID 20532032

IUPAC(4-methylthiadiazol-5-yl)carbamic acid
SMILESCc1nnsc1NC(=O)O
InChIInChI=1S/C4H5N3O2S/c1-2-3(5-4(8)9)10-7-6-2/h5H,1H3,(H,8,9)
InChIKeyYRMVPHMKXXPOJY-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.94
Rot. Bonds1

About (4-methylthiadiazol-5-yl)carbamic acid

(4-methylthiadiazol-5-yl)carbamic acid (PubChem CID 20532032) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)carbamic acid
PubChem CID20532032
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name(4-methylthiadiazol-5-yl)carbamic acid
SMILESCc1nnsc1NC(=O)O
InChIInChI=1S/C4H5N3O2S/c1-2-3(5-4(8)9)10-7-6-2/h5H,1H3,(H,8,9)
InChIKeyYRMVPHMKXXPOJY-UHFFFAOYSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-5-thiadiazolyl)carbamic acid 2-methylpropyl ester
CID 660483
neopentyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479489
methyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479490
methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate
CID 134096775
(4-Methylthiadiazol-5-yl)urea
CID 70510727
tert-butyl N-(4-methylthiadiazol-5-yl)carbamate
CID 70574163
N,4-dimethylthiadiazol-5-amine;formic acid
CID 144532878
N-(4-methylthiadiazol-5-yl)formamide
CID 174548107
ethyl N-(3-methoxy-4-methylthiadiazol-3-ium-5-yl)carbamate
CID 3403981
propyl N-(4-methylthiadiazol-5-yl)carbamate
CID 130009519

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)carbamic acid?
The IUPAC name of (4-methylthiadiazol-5-yl)carbamic acid (CID 20532032) is (4-methylthiadiazol-5-yl)carbamic acid.
What is the SMILES notation for (4-methylthiadiazol-5-yl)carbamic acid?
The canonical SMILES for (4-methylthiadiazol-5-yl)carbamic acid is Cc1nnsc1NC(=O)O.
What is the InChIKey of (4-methylthiadiazol-5-yl)carbamic acid?
The InChIKey is YRMVPHMKXXPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c1-2-3(5-4(8)9)10-7-6-2/h5H,1H3,(H,8,9).
What are the key properties of (4-methylthiadiazol-5-yl)carbamic acid?
(4-methylthiadiazol-5-yl)carbamic acid has a molecular weight of 159.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)carbamic acid is sourced from PubChem (CID 20532032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).