4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C10H18N6O2S — CID 116672310

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCNC(N)=O)s1
InChIInChI=1S/C10H18N6O2S/c1-5(2)15-10-16-7(11)6(19-10)8(17)13-3-4-14-9(12)18/h5H,3-4,11H2,1-2H3,(H,13,17)(H,15,16)(H3,12,14,18)
InChIKeyLLRQSIABMQQIAQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.06
Rot. Bonds6

About 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672310) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672310
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCNC(N)=O)s1
InChIInChI=1S/C10H18N6O2S/c1-5(2)15-10-16-7(11)6(19-10)8(17)13-3-4-14-9(12)18/h5H,3-4,11H2,1-2H3,(H,13,17)(H,15,16)(H3,12,14,18)
InChIKeyLLRQSIABMQQIAQ-UHFFFAOYSA-N
XLogP-0.06
TPSA135.16 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114469889
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106044271
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116672310) is 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCCNC(N)=O)s1.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LLRQSIABMQQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-5(2)15-10-16-7(11)6(19-10)8(17)13-3-4-14-9(12)18/h5H,3-4,11H2,1-2H3,(H,13,17)(H,15,16)(H3,12,14,18).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).