[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid

C18H21N3O3S — CID 87833982

IUPAC[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(Nc2nc3c(s2)COc2ccccc2-3)CC1
InChIInChI=1S/C18H21N3O3S/c22-18(23)19-9-11-5-7-12(8-6-11)20-17-21-16-13-3-1-2-4-14(13)24-10-15(16)25-17/h1-4,11-12,19H,5-10H2,(H,20,21)(H,22,23)
InChIKeyGVQKSKFPDFTGJT-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.94
Rot. Bonds4

About [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid

[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid (PubChem CID 87833982) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
PubChem CID87833982
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(Nc2nc3c(s2)COc2ccccc2-3)CC1
InChIInChI=1S/C18H21N3O3S/c22-18(23)19-9-11-5-7-12(8-6-11)20-17-21-16-13-3-1-2-4-14(13)24-10-15(16)25-17/h1-4,11-12,19H,5-10H2,(H,20,21)(H,22,23)
InChIKeyGVQKSKFPDFTGJT-UHFFFAOYSA-N
XLogP3.94
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid (CID 87833982) is [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid is O=C(O)NCC1CCC(Nc2nc3c(s2)COc2ccccc2-3)CC1.
What is the InChIKey of [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid?
The InChIKey is GVQKSKFPDFTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(23)19-9-11-5-7-12(8-6-11)20-17-21-16-13-3-1-2-4-14(13)24-10-15(16)25-17/h1-4,11-12,19H,5-10H2,(H,20,21)(H,22,23).
What are the key properties of [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid?
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid has a molecular weight of 359.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 87833982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).