2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C10H18N6O2S — CID 64546065

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H18N6O2S/c1-19-5-3-7(15-10(11)18)9(17)12-4-2-8-13-6-14-16-8/h6-7H,2-5H2,1H3,(H,12,17)(H3,11,15,18)(H,13,14,16)
InChIKeyNOTFZWWXHXXQKJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.75
Rot. Bonds8

About 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 64546065) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID64546065
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H18N6O2S/c1-19-5-3-7(15-10(11)18)9(17)12-4-2-8-13-6-14-16-8/h6-7H,2-5H2,1H3,(H,12,17)(H3,11,15,18)(H,13,14,16)
InChIKeyNOTFZWWXHXXQKJ-UHFFFAOYSA-N
XLogP-0.75
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
CID 64529554
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55802358
2-(carbamoylamino)-N-(3-hydroxypentyl)-4-methylsulfanylbutanamide
CID 115703675
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
(2S)-4-amino-4-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 64525694
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784
2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
CID 64546631
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 104686734
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 64546065) is 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is CSCCC(NC(N)=O)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is NOTFZWWXHXXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-19-5-3-7(15-10(11)18)9(17)12-4-2-8-13-6-14-16-8/h6-7H,2-5H2,1H3,(H,12,17)(H3,11,15,18)(H,13,14,16).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 286.36 g/mol, XLogP of -0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 64546065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).